4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(propan-2-yl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(propan-2-yl)isoquinolin-1(2H)-one
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(propan-2-yl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | Y042-7241 |
| Compound Name: | 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(propan-2-yl)isoquinolin-1(2H)-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | CC(C)N1C=C(C(N2CCC(CC2)c2nc3ccccc3[nH]2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9117 |
| logD: | 2.9046 |
| logSw: | -3.3911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.026 |
| InChI Key: | BNBSLKWICVRDHH-UHFFFAOYSA-N |